dimethyl (E)-2-methylsulfanyl-3-pyrrolidin-1-yl-but-2-enedioate

Systemtic Name: dimethyl (E)-2-methylsulfanyl-3-pyrrolidin-1-yl-but-2-enedioate Openeye Name: dimethyl (E)-2-methylsulfanyl-3-pyrrolidin-1-yl-but-2-enedioate CAS Name: (E)-2-(methylthio)-3-(1-pyrrolidinyl)-2-butenedioic acid dimethyl ester IUPAC Name: dimethyl (E)-2-methylsulfanyl-3-pyrrolidin-1-ylbut-2-enedioate Traditional Name: (E)-2-(methylthio)-3-pyrrolidino-but-2-enedioic acid dimethyl ester Formula: C11H17NO4S MolecularWeight: 259.32198

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(C(=O)OC)SC)N1CCCC1

Isomeric SMILES

COC(=O)/C(=C(/C(=O)OC)\SC)/N1CCCC1

InChI

InChI=1S/C11H17NO4S/c1-15-10(13)8(12-6-4-5-7-12)9(17-3)11(14)16-2/h4-7H2,1-3H3/b9-8+